SCHEMBL4845772

SCHEMBL4845772

C=C(c1ccccc1)N1C(=O)CCC1c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
CACNA1H O95180 1/20 0.37
HDAC4 P56524 1/20 0.35
ACHE P22303 1/20 0.35
RORC P51449 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4135564 1.00 L3MBTL1 (0.50) L3MBTL1MEN1KMT2AATMCACNA1H
SCHEMBL23878361 0.86 L3MBTL1 (0.50) L3MBTL1MEN1KMT2AATMCACNA1H
SCHEMBL22039448 0.86 L3MBTL1 (0.50) L3MBTL1MEN1KMT2AATMCACNA1H
SCHEMBL4145312 0.80 L3MBTL1 (0.47) L3MBTL1ACHECYP2C9CYP2C19CYP3A4
SCHEMBL7194164 0.78 HCRTR1 (0.46) L3MBTL1CHRM2CHRM1
SCHEMBL4149720 0.78 HCRTR1 (0.46) L3MBTL1CHRM2CHRM1
SCHEMBL29779329 0.69 RORC (0.46) L3MBTL1RORCCYP2C9CYP2C19CYP3A4
SCHEMBL29779454 0.69 RORC (0.46) L3MBTL1RORCCYP2C9CYP2C19CYP3A4
SCHEMBL27528621 0.69 RORC (0.46) L3MBTL1RORCCYP2C9CYP2C19CYP3A4
SCHEMBL5837860 0.69 L3MBTL1 (0.58) L3MBTL1MEN1KMT2ACHRM2CHRM4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7419936-B2 Optically active 2,5-bisaryl-Δ1-pyrrolines and their use as pest control agents BAYER CROPSCIENCE AG (DE) 2008-09-02 US disclosed